SCHEMBL89550

SCHEMBL89550

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(c5cncc(F)c5)CCCC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.40
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL89855 0.92 REN (0.40) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL90105 0.91 REN (0.42) RENCYP3A4CYP2D6CYP2C9MEN1
SCHEMBL89608 0.91 REN (0.40) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL89543 0.88 REN (0.51) RENCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL89587 0.88 REN (0.41) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL10282924 0.88 REN (0.41) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL90659 0.88 REN (0.41) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL90676 0.88 REN (0.42) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL89751 0.87 REN (0.42) RENCYP2C9MEN1KMT2AALDH1A1
SCHEMBL89932 0.86 REN (0.42) RENMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885CYP3A4 416/4885CYP2D6 479/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.